Molecular dynamics study on the interlayer friction behavior of two-dimensional binary materials under non-fixed mismatched angles: A comprehensive analysis of boron nitride nanosheets

Abstract

Two-dimensional binary materials, due to their unique optoelectronic properties and excellent mechanical stability, are ideal candidates for addressing tribological issues in micro-nano electromechanical systems. This study employs molecular dynamics simulations to investigate the interlayer behavior of boron nitride under rotational friction. We systematically analyzed the effects of normal load, uniaxial strain, sliding velocity, temperature, and substrate stiffness on friction performance. Results indicate that rotational sliding reduces the friction force differences under various directional strains. Complex coupling relationships exist among these factors, such as increased load enhancing thermally activated lubrication mechanisms. The study also captured an atomic trajectory selection mechanism that controls atomic motion via speed, its reversibility and controllability offering a new way to dynamically regulate interlayer friction.